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The adsorption behaviors of CO and H2 on FeO surface: A density functional theory study
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文摘

Adsorption behaviors of CO and H2 onto three FeO surfaces were studied using density functional theory (DFT) calculations.

The effects of reducing gas on reduction reaction were compared based on the micro perspective.

The effects of reducing gas on growth of iron whiskers were explained based on the atomic scale.

The main growth orientation of iron whiskers was predicted.

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